2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine

C9H10N2O3S — CID 62348125

IUPAC2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine
SMILESNCCOC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C9H10N2O3S/c10-5-6-14-9-7-3-1-2-4-8(7)15(12,13)11-9/h1-4H,5-6,10H2
InChIKeyCKPYJCDLCNRLIE-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.11
Rot. Bonds2

About 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine (PubChem CID 62348125) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine
PubChem CID62348125
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine
SMILESNCCOC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C9H10N2O3S/c10-5-6-14-9-7-3-1-2-4-8(7)15(12,13)11-9/h1-4H,5-6,10H2
InChIKeyCKPYJCDLCNRLIE-UHFFFAOYSA-N
XLogP0.11
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1-dioxo-1,2-benzothiazol-3-yl)oxyboronic acid
CID 164680331
N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethyl]-N'-phenyloxamide
CID 2250834
3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide
CID 55065734
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]aniline
CID 43364002
3-(2,3,4,5,6-pentafluorophenoxy)-1,2-benzothiazole 1,1-dioxide
CID 71319120
3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide
CID 94407341
5-chloro-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]aniline
CID 43364043
2-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]oxyethanamine
CID 82688769
3-pyrrolidin-3-yloxy-1,2-benzothiazole 1,1-dioxide
CID 62348780
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]-5-methylaniline
CID 61314004
3-[4-(2-methylbutan-2-yl)phenoxy]-1,2-benzothiazole 1,1-dioxide
CID 689398
sodium 1,1-dioxo-1,2-benzothiazol-3-olate
CID 23675258

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine?
The IUPAC name of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine (CID 62348125) is 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine?
The canonical SMILES for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine is NCCOC1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine?
The InChIKey is CKPYJCDLCNRLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c10-5-6-14-9-7-3-1-2-4-8(7)15(12,13)11-9/h1-4H,5-6,10H2.
What are the key properties of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine?
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine has a molecular weight of 226.26 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine is sourced from PubChem (CID 62348125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).